N-[3-(1-adamantylcarbonylamino)-5-(2-methylphenoxy)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(1-adamantylcarbonylamino)-5-(2-methylphenoxy)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(adamantane-1-carbonylamino)-5-(2-methylphenoxy)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-adamantyl(oxo)methyl]amino]-5-(2-methylphenoxy)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(adamantane-1-carbonylamino)-5-(2-methylphenoxy)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(adamantane-1-carbonylamino)-5-(2-methylphenoxy)phenyl]adamantane-1-carboxamide Formula: C35H42N2O3 MolecularWeight: 538.71958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C35H42N2O3/c1-21-4-2-3-5-31(21)40-30-13-28(36-32(38)34-15-22-6-23(16-34)8-24(7-22)17-34)12-29(14-30)37-33(39)35-18-25-9-26(19-35)11-27(10-25)20-35/h2-5,12-14,22-27H,6-11,15-20H2,1H3,(H,36,38)(H,37,39)